N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine

C17H27NO2 — CID 76946866

IUPACN-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine
SMILESCC=Cc1ccc(OCCNCCC(C)C)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-5-6-15-7-8-16(17(13-15)19-4)20-12-11-18-10-9-14(2)3/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyUUYJLMLQSPFYRA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.74
Rot. Bonds9

About N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine

N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine (PubChem CID 76946866) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine
PubChem CID76946866
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine
SMILESCC=Cc1ccc(OCCNCCC(C)C)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-5-6-15-7-8-16(17(13-15)19-4)20-12-11-18-10-9-14(2)3/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyUUYJLMLQSPFYRA-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 76946730
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]butan-2-amine
CID 20833711
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717
N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2936136
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
(E)-3-[4-[2-[[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]amino]ethoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 11236443
4-[2-[[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]amino]ethoxy]-3-methoxybenzoic acid
CID 11144502
[(2S)-butan-2-yl]-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 2184410
(E)-N-tert-butyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 19201281

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine (CID 76946866) is N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine is CC=Cc1ccc(OCCNCCC(C)C)c(OC)c1.
What is the InChIKey of N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine?
The InChIKey is UUYJLMLQSPFYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-6-15-7-8-16(17(13-15)19-4)20-12-11-18-10-9-14(2)3/h5-8,13-14,18H,9-12H2,1-4H3.
What are the key properties of N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine?
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 76946866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).